Size and Composition Dependence of Oxygen Reduction Reaction Catalytic Activities of Mo-Doped PtNi/C Octahedral Nanocrystals

ACS Catalysis ◽  
2021 ◽  
Vol 11 (18) ◽  
pp. 11407-11415
Author(s):  
Shlomi Polani ◽  
Katherine E. MacArthur ◽  
Malte Klingenhof ◽  
Xingli Wang ◽  
Paul Paciok ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Composition Dependence ◽  
Reduction Reaction ◽  
Catalytic Activities ◽  
Octahedral Nanocrystals

Controlling the Size and Composition of Nanosized Pt-Ni Octahedra to Optimize Their Catalytic Activities toward the Oxygen Reduction Reaction

ChemSusChem ◽  
2014 ◽  
Vol 7 (5) ◽  
pp. 1476-1483 ◽  
Author(s):  
Sang-Il Choi ◽  
Shuifen Xie ◽  
Minhua Shao ◽  
Ning Lu ◽  
Sandra Guerrero ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Catalytic Activities

Preparation of Pt-loaded nitrogen-doped activated carbons and their catalytic activities for the oxygen reduction reaction

Carbon ◽  
2016 ◽  
Vol 110 ◽  
pp. 519
Author(s):  
Li-xiang Li ◽  
Yan-qiu Zhang ◽  
Pan-song Sun ◽  
Bai-gang An ◽  
Tian-yu Xing ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Activated Carbons ◽  
Reduction Reaction ◽  
Nitrogen Doped ◽  
Catalytic Activities

Theoretical insight into the catalytic activities of oxygen reduction reaction on transition metal–N4 doped graphene

2018 ◽  
Vol 42 (12) ◽  
pp. 9620-9625 ◽  
Author(s):  
Cong Yin ◽  
Hao Tang ◽  
Kai Li ◽  
Yuan Yuan ◽  
Zhijian Wu
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Catalytic Activities ◽  
Doped Graphene ◽  
Theoretical Insight ◽  
Insight Into

The ORR (OER) activities are expressed as the function of ΔGads(O) on the M–N4-C composites and the best component can be predicted.

scholarly journals Computationally Generated Maps of Surface Structures and Catalytic Activities for Alloy Phase Diagrams

2019 ◽  
Author(s):  
Liang Cao ◽  
Le, Niu ◽  
Tim Mueller
Keyword(s):  
Phase Diagram ◽  
Catalytic Activity ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Binding Energies ◽  
Alloy Surface ◽  
High Catalytic Activity ◽  
Catalytic Activities ◽  
Highly Active

<p>To facilitate the rational design of alloy catalysts, we introduce a method for rapidly calculating the structure and catalytic properties of a substitutional alloy surface that is in equilibrium with the underlying bulk phase. We implement our method by developing a way to generate surface cluster expansions that explicitly account for the lattice parameter of the bulk structure. This approach makes it possible to computationally map the structure of an alloy surface and statistically sample adsorbate binding energies at every point in the alloy phase diagram. When combined with a method for predicting catalytic activities from adsorbate binding energies, maps of catalytic activities at every point in the phase diagram can be created, enabling the identification of synthesis conditions likely to result in highly active catalysts. We demonstrate our approach by analyzing Pt-rich Pt–Ni catalysts for the oxygen reduction reaction, finding two regions in the phase diagram that are predicted to result in highly active catalysts. Our analysis indicates that the Pt<sub>3</sub>Ni(111) surface, which has the highest known specific activity for the oxygen reduction reaction, is likely able to achieve its high activity through the formation of an intermetallic phase with L1<sub>2</sub> order. We use the generated surface structure and catalytic activity maps to demonstrate how the intermetallic nature of this phase leads to high catalytic activity and discuss how the underlying principles can be used in catalysis design. We further discuss the importance of surface phases and demonstrate how they can dramatically affect catalytic activity.</p>

scholarly journals Computationally Generated Maps of Surface Structures and Catalytic Activities for Alloy Phase Diagrams

2019 ◽  
Author(s):  
Liang Cao ◽  
Le, Niu ◽  
Tim Mueller
Keyword(s):  
Phase Diagram ◽  
Catalytic Activity ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Binding Energies ◽  
Alloy Surface ◽  
High Catalytic Activity ◽  
Catalytic Activities ◽  
Highly Active

<p>To facilitate the rational design of alloy catalysts, we introduce a method for rapidly calculating the structure and catalytic properties of a substitutional alloy surface that is in equilibrium with the underlying bulk phase. We implement our method by developing a way to generate surface cluster expansions that explicitly account for the lattice parameter of the bulk structure. This approach makes it possible to computationally map the structure of an alloy surface and statistically sample adsorbate binding energies at every point in the alloy phase diagram. When combined with a method for predicting catalytic activities from adsorbate binding energies, maps of catalytic activities at every point in the phase diagram can be created, enabling the identification of synthesis conditions likely to result in highly active catalysts. We demonstrate our approach by analyzing Pt-rich Pt–Ni catalysts for the oxygen reduction reaction, finding two regions in the phase diagram that are predicted to result in highly active catalysts. Our analysis indicates that the Pt<sub>3</sub>Ni(111) surface, which has the highest known specific activity for the oxygen reduction reaction, is likely able to achieve its high activity through the formation of an intermetallic phase with L1<sub>2</sub> order. We use the generated surface structure and catalytic activity maps to demonstrate how the intermetallic nature of this phase leads to high catalytic activity and discuss how the underlying principles can be used in catalysis design. We further discuss the importance of surface phases and demonstrate how they can dramatically affect catalytic activity.</p>

scholarly journals A dinuclear cobalt cluster as electrocatalyst for oxygen reduction reaction

RSC Advances ◽  
2019 ◽  
Vol 9 (72) ◽  
pp. 42554-42560 ◽  
Author(s):  
Yun-Wu Li ◽  
Wen-Jie Zhang ◽  
Chun-Xia Li ◽  
Lin Gu ◽  
Hong-Mei Du ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Catalytic Activities ◽  
Cobalt Cluster ◽  
Electrocatalytic Performance

A Pt-free dinuclear {CoII2} cluster was selected to research its ORR catalytic activities. The {CoII2} possesses defined crystal structure and displays a nice ORR electrocatalytic performance by a nearly 4-electrons reduction pathway.

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